Roothaan–Hartree–Fock wave functions for cations and anions in Slater-type basis sets with doubly even tempered exponents

Summary.

 Roothaan–Hartree–Fock wave functions in Slater-type basis sets are reported for the cations Li^+–Cs⁺ and anions H^-–I^- using the double even tempering (DET) method of selecting orbital exponents. The DET total energies do not differ from the corresponding numerical Hartree–Fock values by more than 0.2 millihartrees for the cations and anions. The present results together with the previous ones for neutral atoms [Theor Chim Acta 88:273 (1994)] provide a compilation of DET wave functions of near Hartree–Fock quality for all the neutral and singly-charged atoms with the number of electrons N?54.